7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane

C10H20N2OS — CID 164656017

IUPAC7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)N1CCC2(CCC2)CC1
InChIInChI=1S/C10H20N2OS/c1-2-14(11,13)12-8-6-10(7-9-12)4-3-5-10/h11H,2-9H2,1H3
InChIKeyWCBRGDJHNGUVHC-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.23
Rot. Bonds2

About 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane

7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane (PubChem CID 164656017) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane
PubChem CID164656017
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane
SMILES[H]N=S(=O)(CC)N1CCC2(CCC2)CC1
InChIInChI=1S/C10H20N2OS/c1-2-14(11,13)12-8-6-10(7-9-12)4-3-5-10/h11H,2-9H2,1H3
InChIKeyWCBRGDJHNGUVHC-UHFFFAOYSA-N
XLogP2.23
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
propane;spiro[3.3]heptane
CID 176988732
6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
CID 130815616
ethyl-imino-oxo-(1-oxo-1,4-thiazepan-4-yl)-λ6-sulfane
CID 164648394
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326
3-(8-azaspiro[4.5]decan-8-ylsulfonyl)propan-1-amine
CID 63159425
3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
CID 58435995
2-azaspiro[4.4]nonane-2-sulfonyl chloride
CID 130516395
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
N-(3-aminopropyl)-N-methyl-8-azaspiro[4.5]decane-8-sulfonamide
CID 63159100
1,3-bis(8-azaspiro[4.5]decan-8-ylsulfonyl)urea
CID 134126333
6-azaspiro[3.4]octan-6-yl-butyl-dihydroxy-λ4-sulfane
CID 156713687

Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane?
The IUPAC name of 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane (CID 164656017) is 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane.
What is the SMILES notation for 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane?
The canonical SMILES for 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane is [H]N=S(=O)(CC)N1CCC2(CCC2)CC1.
What is the InChIKey of 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane?
The InChIKey is WCBRGDJHNGUVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-14(11,13)12-8-6-10(7-9-12)4-3-5-10/h11H,2-9H2,1H3.
What are the key properties of 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane?
7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane has a molecular weight of 216.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane is sourced from PubChem (CID 164656017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).